Brand  (β version)

PDB ID: 3UUO

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Ligands
Code Name Style Show Link
0CV 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1h-pyrazolo[3,4-B]quinoline PoSSuM
MG Magnesium ion PoSSuM
ZN Zinc ion PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3UUO   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia
Release Data : 2012-01-25
Compound :
mol_id molecule chains
1 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A A,B
ec: 3.1.4.17, 3.1.4.35
fragment: CATALYTIC DOMAIN, UNP residues 432-760
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PDE10A
Authors : Ho, G.D., Yang, S., Smotryski, J., Bercovici, A., Nechuta, T., Smith, E.M., McElroy, W., Tan, Z., Tulshian, D., Mckittrick, B., Greenlee, W.J., Hruza, A., Xiao, L., Rindgen, D., Guzzi, M., Zhang, X., Bleickardt, C., Mullins, D., Hodgson, R.
Keywords : INHIBITOR COMPLEX, HYDROLASE, ZN BINDING, MG BINDING, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.11 Å )
Citation :

The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.

Ho, G.D.,Yang, S.W.,Smotryski, J.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 1019 - 1022

PubMed: 22222034
DOI: 10.1016/j.bmcl.2011.11.127

Reaction

Chain : A, B
UniProt : Q9Y233 (PDE10_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a nucleoside 3',5'-cyclic phosphate + H2O = a nucleoside 5'- phosphate + H(+) 3.1.4.17 PubMed:10373451, PubMed:10393245, PubMed:17389385, PubMed:27058447
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3',5'-cyclic AMP + H2O = AMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:16330539, PubMed:17389385, PubMed:27058447
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3',5'-cyclic GMP + H2O = GMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:17389385, PubMed:27058447
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Cofactor: Evidence: Note:
a divalent metal cation ECO:0000269 | PubMed:17389385
Binds 2 divalent metal cations per subunit. Site 1 may preferentially bind zinc ions, while site 2 has a preference for magnesium and/or manganese ions.